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CHEBI:185572 - 6-Hydroxycyanidin 3-(6-malonylglucoside)

Default Structure
ChEBI IDCHEBI:185572
ChEBI Name6-Hydroxycyanidin 3-(6-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23O15
Net Charge+1
Average Mass551.433
Monoisotopic Mass551.10315
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)c(O)c(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O15/c25-10-2-1-8(3-11(10)26)23-14(4-9-13(37-23)5-12(27)19(32)18(9)31)38-24-22(35)21(34)20(33)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,31,32)/p+1/t15?,20-,21+,22?,24-/m1/s1
InChIKeyWFOUPMJWHMPTML-JWPBIFFTSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxycyanidin 3-(6-malonylglucoside) (CHEBI:185572) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
24842471ChemSpider
LMPK12010427LIPID MAPS